This database contains crystal structure information for inorganic compounds. In addition to the crystal cell and chemistry, all the atom locations are given. Thus, from this information, it is possible to calculate the powder diffraction pattern that can then be compared with experimental data.

The Powder Diffraction File (PDF) contains diffraction data primarily in the form of tables of d's and I's coupled with derived crystallographic information and documentation on the sample used, the experimental condition, and on source of information.
PDF-1 is the first computer-readable version of the PDF contained only the d's, I's, the chemical formula and name, and the PDF number.
PDF-2 contains crystal unit cell and the Miller indices, the symmenty, some physical property information, and the reference.